6.11 Global Thresholds (GTHRESH)

A number of global thresholds can be set using the GTHRESH command outside
the individual programs (the first letter G is optional, but should be used to
avoid confusion with program specific THRESH cards). The syntax is

GTHRESH,key1=value1,key2=value2,...

key can be one of the following.

ZERO

Numerical zero (default 1.d-12)

ONEINT

Threshold for one-electron integrals (default 1.d-12, but not used at present)

TWOINT

Threshold for the neglect of two-electron integrals (default 1.d-12)

PREFAC

Threshold for test of prefactor in TWOINT (default 1.d-14)

LOCALI

Threshold for orbital localization (default 1.d-8)

EORDER

Threshold for reordering of orbital after localization (default 1.d-4)